Crystallography Open Database

Information card for entry 7220774

7220773 << 7220774 >> 7220775

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Coordinates	7220774.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,4-bis-(([3-hydroxy-diphenyl]-phenylmethyl)-ethynyl)-phenylene acetone solvate
Chemical name	1,4-bis-(([3-hydroxy-diphenyl]-phenylmethyl)-ethynyl)-phenylene acetone solvate
Formula	C54 H46 O4
Calculated formula	C54 H46 O4
Title of publication	Crystalline arrays of molecular rotors with TIPS-trityl and phenolic-trityl stators using phenylene, 1,2-difluorophenylene and pyridine rotators
Authors of publication	Arcos-Ramos, Rafael; Rodriguez-Molina, Braulio; Ramirez-Montes, Pedro; Gonzalez-Rodriguez, Edgar; Ochoa, Maria; Santillan, Rosa; Farfán, Norberto; Garcia-Garibay, Miguel A
Journal of publication	RSC Adv.
Year of publication	2015
a	8.9512 ± 0.00029 Å
b	10.1347 ± 0.0004 Å
c	13.2279 ± 0.0005 Å
α	79.9847 ± 0.0017°
β	74.7185 ± 0.0017°
γ	64.7483 ± 0.0019°
Cell volume	1044.36 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1387
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.2174
Weighted residual factors for all reflections included in the refinement	0.2512
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
139252 (current)	2015-06-16	cif/ Adding structures of 7220772, 7220773, 7220774, 7220775, 7220776 via cif-deposit CGI script.	7220774.cif